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P-580407927

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Name File
SDF P-580407927.sdf
SMILES P-580407927.smiles
Standard InChI P-580407927.inchi
InChIKey P-580407927.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580407927 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 2
Mass 520.393
logP 6.021
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 5
PSA 76.84
RO5 violations 2
RO3 violations 5
Refractivity 129.542
Atoms 61
Rings 5
Heavy atoms 33
Hydrogen atoms 28
Heteroatoms 15
N/O atoms 7
Inorganic atoms 0
Halogen atoms 6
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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